Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M3RLK24D37
EPA CompTox DTXSID20179166

Structure

InChI Key WPTWOMTZGUIVFZ-UHFFFAOYSA-N
Smiles Cc1c(C)cc2ccoc2c1
InChI
InChI=1S/C10H10O/c1-7-5-9-3-4-11-10(9)6-8(7)2/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10O1
Molecular Weight 146.07
AlogP 3.05
Hydrogen Bond Acceptor 1.0
Polar Surface Area 13.14
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 24410-52-4
NORMAN SUSDAT
FDA SRS M3RLK24D37
PubChem 33110
ChemSpider 30605.0